Homofolic acid

CAS Registry Number®

3566-25-4

CAS Name

Homofolic acid

Molecular Formula

C20H21N7O6

Molecular Mass

455.42

Cite this Page

Homofolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3566-25-4 (retrieved 2024-11-22) (CAS RN: 3566-25-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,9,13,22H,5-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t13-/m0/s1

InChIKey

InChIKey=QXARTGUOGAZGKO-ZDUSSCGKSA-N

SMILES

O=C1C=2C(NC=C(CCNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)N2)=NC(N)=N1

Canonical SMILES

O=C1N=C(N=C2NC=C(N=C12)CCNC3=CC=C(C=C3)C(=O)NC(C(=O)O)CCC(=O)O)N

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-
  • Glutamic acid, N-[p-[[2-(2-amino-4-hydroxy-6-pteridinyl)ethyl]amino]benzoyl]-, L-
  • Homofolic acid
  • NSC 79249

Deleted or Replaced CAS Registry Numbers

96063-42-2, 18725-44-5